UCSF

ZINC39298186

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 14 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.09 1.89 -9.62 2 3 0 53 193.177 1
Hi High (pH 8-9.5) 1.39 0.47 -40.09 1 3 -1 56 192.169 1

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )